Chemical ID: 5983763

c1ccc(cc1)C(=O)N2CCCC2C(=O)Nc3nnc(s3)c4ccc(cc4)Br
Chemical ID:
5983763
Name [?]:
1-benzoyl-N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-pyrrolidine-2-carboxamide
SMILES [?]:
c1ccc(cc1)C(=O)N2CCCC2C(=O)Nc3nnc(s3)c4ccc(cc4)Br
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C20H17BrN4O2S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.9763
Area:619.174
Solvation:-4.50311
Coulombic:-43.9072
Bond Count [?]
All:31
Single:21
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:457.345
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.9
LogP (Chemaxon):3.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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